2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L387-6073 |
| Compound Name: | 2-{[2-(diethylamino)-7-oxo-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 497.56 |
| Molecular Formula: | C21 H22 F3 N5 O2 S2 |
| Smiles: | CCN(CC)c1nc2c(C(N(CC=C)C(=N2)SCC(Nc2ccc(cc2)C(F)(F)F)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9862 |
| logD: | 4.9862 |
| logSw: | -4.5646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.303 |
| InChI Key: | YRGCIOKTKBFOJX-UHFFFAOYSA-N |